3-[3-(dimethylamino)prop-2-enoyl]-1H-1,6-naphthyridin-2-one

C13H13N3O2 — CID 4101451

IUPAC3-[3-(dimethylamino)prop-2-enoyl]-1H-1,6-naphthyridin-2-one
SMILESCN(C)C=CC(=O)c1cc2cnccc2[nH]c1=O
InChIInChI=1S/C13H13N3O2/c1-16(2)6-4-12(17)10-7-9-8-14-5-3-11(9)15-13(10)18/h3-8H,1-2H3,(H,15,18)
InChIKeyCZHYPSIKUBOZGF-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.18
Rot. Bonds3

About 3-[3-(dimethylamino)prop-2-enoyl]-1H-1,6-naphthyridin-2-one

3-[3-(dimethylamino)prop-2-enoyl]-1H-1,6-naphthyridin-2-one (PubChem CID 4101451) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 3-[3-(dimethylamino)prop-2-enoyl]-1H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-[3-(dimethylamino)prop-2-enoyl]-1H-1,6-naphthyridin-2-one
PubChem CID4101451
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name3-[3-(dimethylamino)prop-2-enoyl]-1H-1,6-naphthyridin-2-one
SMILESCN(C)C=CC(=O)c1cc2cnccc2[nH]c1=O
InChIInChI=1S/C13H13N3O2/c1-16(2)6-4-12(17)10-7-9-8-14-5-3-11(9)15-13(10)18/h3-8H,1-2H3,(H,15,18)
InChIKeyCZHYPSIKUBOZGF-UHFFFAOYSA-N
XLogP1.18
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)prop-2-enoyl]-1H-1,6-naphthyridin-2-one?
The IUPAC name of 3-[3-(dimethylamino)prop-2-enoyl]-1H-1,6-naphthyridin-2-one (CID 4101451) is 3-[3-(dimethylamino)prop-2-enoyl]-1H-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-[3-(dimethylamino)prop-2-enoyl]-1H-1,6-naphthyridin-2-one?
The canonical SMILES for 3-[3-(dimethylamino)prop-2-enoyl]-1H-1,6-naphthyridin-2-one is CN(C)C=CC(=O)c1cc2cnccc2[nH]c1=O.
What is the InChIKey of 3-[3-(dimethylamino)prop-2-enoyl]-1H-1,6-naphthyridin-2-one?
The InChIKey is CZHYPSIKUBOZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-16(2)6-4-12(17)10-7-9-8-14-5-3-11(9)15-13(10)18/h3-8H,1-2H3,(H,15,18).
What are the key properties of 3-[3-(dimethylamino)prop-2-enoyl]-1H-1,6-naphthyridin-2-one?
3-[3-(dimethylamino)prop-2-enoyl]-1H-1,6-naphthyridin-2-one has a molecular weight of 243.27 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)prop-2-enoyl]-1H-1,6-naphthyridin-2-one is sourced from PubChem (CID 4101451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).